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CAS 885267-51-6

:

5-[3-(2,4-Dichlorophenoxy)propyl]-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione

Description:
5-[3-(2,4-Dichlorophenoxy)propyl]-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione, with the CAS number 885267-51-6, is a synthetic organic compound characterized by its triazole core, which is a five-membered heterocyclic ring containing three nitrogen atoms. This compound features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its reactivity and potential biological activity. The presence of a dichlorophenoxy group suggests that it may exhibit herbicidal or fungicidal properties, making it of interest in agricultural chemistry. Additionally, the phenylmethyl substituent enhances its lipophilicity, potentially influencing its bioavailability and interaction with biological targets. The compound's structure suggests it may participate in various chemical reactions, including nucleophilic substitutions and coordination with metal ions. Overall, its unique combination of functional groups and structural features positions it as a candidate for further research in both synthetic and applied chemistry contexts.
Formula:C18H17Cl2N3OS
InChI:InChI=1S/C18H17Cl2N3OS/c19-14-8-9-16(15(20)11-14)24-10-4-7-17-21-22-18(25)23(17)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,22,25)
InChI key:InChIKey=MAMRLWISHWTTAO-UHFFFAOYSA-N
SMILES:C(N1C(CCCOC2=C(Cl)C=C(Cl)C=C2)=NNC1=S)C3=CC=CC=C3
Synonyms:
  • 5-[3-(2,4-Dichlorophenoxy)propyl]-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione
  • 3H-1,2,4-Triazole-3-thione, 5-[3-(2,4-dichlorophenoxy)propyl]-2,4-dihydro-4-(phenylmethyl)-
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